SCHEMBL7931373

SCHEMBL7931373

O=C(CS)Nc1c(Cl)ncnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16013623 0.77 HPGD (0.45) MAPTALDH1A1
SCHEMBL18295680 0.77 MAP4K4 (0.39) MAPTALDH1A1HDAC1HDAC6MEN1
SCHEMBL16593729 0.75 ADORA3 (0.36) ALDH1A1HDAC1HDAC6L3MBTL1
SCHEMBL16013763 0.75 KMT2A (0.46) MEN1POLBKMT2AL3MBTL1
SCHEMBL13822124 0.72 KMT2A (0.43) MAPTALDH1A1HDAC6MEN1KMT2A
SCHEMBL16013252 0.72 MEN1 (0.62) MAPTHDAC6MEN1POLBKMT2A
SCHEMBL4209304 0.71 POLB (0.43) MAPTALDH1A1HDAC1HDAC6MEN1
SCHEMBL5803985 0.71 MAPT (0.53) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15449548 0.70 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL4199236 0.70 NPC1 (0.52) ALDH1A1MEN1POLBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 MAPT 1781/4885ALDH1A1 496/4885HDAC1 137/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MAPT 2849/4885ALDH1A1 2213/4885HDAC1 4782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.